N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C16H14Cl2FN — CID 116531137

IUPACN-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(Cl)c(NC2CCc3cc(F)ccc32)cc1Cl
InChIInChI=1S/C16H14Cl2FN/c1-9-6-14(18)16(8-13(9)17)20-15-5-2-10-7-11(19)3-4-12(10)15/h3-4,6-8,15,20H,2,5H2,1H3
InChIKeyFBJKFCNFIVEXKR-UHFFFAOYSA-N
MW310.20 g/mol
LogP5.54
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531137) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID116531137
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(Cl)c(NC2CCc3cc(F)ccc32)cc1Cl
InChIInChI=1S/C16H14Cl2FN/c1-9-6-14(18)16(8-13(9)17)20-15-5-2-10-7-11(19)3-4-12(10)15/h3-4,6-8,15,20H,2,5H2,1H3
InChIKeyFBJKFCNFIVEXKR-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.20
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682645
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530861
1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
CID 116530980
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530961
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 116531137) is N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1cc(Cl)c(NC2CCc3cc(F)ccc32)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FBJKFCNFIVEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c1-9-6-14(18)16(8-13(9)17)20-15-5-2-10-7-11(19)3-4-12(10)15/h3-4,6-8,15,20H,2,5H2,1H3.
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 310.20 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).